Description

(+)-3-[(1S)-4α-Chloro-3β-Ethenyl-2β-Isothiocyanato-3-Methyl-6α-(1-Methylethenyl)Cyclohexane-1β-Yl]-1H-Indole is a complex, high-purity synthetic indole derivative characterized by its unique stereochemistry and functional groups, including chloro, ethenyl, and isothiocyanato moieties. This compound is of significant value as a key chiral intermediate and a versatile building block for advanced organic synthesis, enabling the development of novel molecular architectures. It is primarily needed by pharmaceutical R&D and fine chemical synthesis teams focused on creating new active pharmaceutical ingredients (APIs), agrochemicals, and specialized ligands for catalysis.

Application

• Pharmaceutical Intermediate: Serves as a critical chiral building block in the synthesis of novel drug candidates, particularly in oncology and CNS research.
• Agrochemical Research: Used in the development of new-generation pesticides and herbicides, leveraging its complex, bioactive scaffold.
• Chemical Biology Probe: Acts as a precursor for synthesizing molecular probes to study enzyme function and biological pathways due to its reactive isothiocyanate group.
• Asymmetric Catalysis: Employed in the preparation of chiral ligands or catalysts for stereoselective synthesis.
• Material Science Research: Investigated as a monomer or precursor for advanced polymeric materials with specific optical or electronic properties.
• Reference Standard: Supplied as a high-purity analytical standard for quality control and method development in analytical laboratories.

Basic Information

Product Name	(+)-3-[(1S)-4α-Chloro-3β-Ethenyl-2β-Isothiocyanato-3-Methyl-6α-(1-Methylethenyl)Cyclohexane-1β-Yl]-1H-Indole
CAS No.	101968-74-5
Molecular Formula	C21H23ClN2S
Molecular Weight	370.94 g/mol
Synonyms	(+)-3-[(1S)-4α-Chloro-3β-ethenyl-2β-isothiocyanato-3-methyl-6α-(1-methylethenyl)cyclohexane-1β-yl]-1H-indole; 4α-Chloro-3β-ethenyl-2β-isothiocyanato-3-methyl-6α-isopropenyl-1β-(1H-indol-3-yl)cyclohexane; NSC 339586; A complex indole isothiocyanate derivative; (1S,2S,3S,4R,6S)-4-Chloro-3-ethenyl-2-isothiocyanato-3-methyl-6-(prop-1-en-2-yl)-1-(1H-indol-3-yl)cyclohexane
EINECS	Contact for details

Quality Control

Our production of this advanced intermediate adheres to strict quality management systems to ensure batch-to-batch consistency and high purity. Each lot undergoes comprehensive analytical characterization, including HPLC for purity, chiral analysis, and structural confirmation via NMR and MS. A detailed Certificate of Analysis (COA) is provided with every shipment, documenting all critical quality attributes. We support development and commercial projects requiring compliance with cGMP and other relevant regulatory guidelines.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry place at a controlled room temperature (15-25°C). Due to its hygroscopic (moisture-sensitive) nature, the container must be kept tightly sealed in a dry environment. For long-term storage, consider using desiccants or storing under an inert atmosphere to maintain stability.

Specification

Item	Specification
Appearance	White to off-white solid
Identification (IR)	Conforms to structure
Identification (NMR)	Conforms to structure
Purity (HPLC)	≥ 97.0%
Chiral Purity (Chiral HPLC)	≥ 98.0% ee
Water Content (KF)	≤ 0.5%
Residue on Ignition	≤ 0.1%
Heavy Metals	≤ 10 ppm

Note: Specifications can be tailored. Please contact us for the detailed technical data sheet of a specific grade.